homecomplexesD-MPNN

D-MPNN Donor Prediction

Sequential multi-lig (7058) — 7058 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
87
Exact (1.0)
2026
Partial (>0)
4945
No match
0.159
Mean score
Reset
#6916 3b Rh(3) — 3 candidates
GT: {"N": 2} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6917 1 Rh(3) — 3 candidates
GT: {"O": 1, "N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6918 2 Rh(3) — 3 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 2, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6919 3 Rh(3) — 3 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6920 1 Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6921 1 (Rh-5-Cl-phen) Rh(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6922 3 (Rh-5-Me-Phen) Rh(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6923 5 (Rh-Dph-Bpy) Rh(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6924 7 (Rh-Da-Bpy) Rh(3) — 3 candidates
GT: {"N": 6} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6930 7,8 Rh(3) — 2 candidates
GT: {"S": 3, "N": 4} Pred: {"S": 6}
0.00
Candidates → Complex detail MOL 3D Viewer
#6931 5 Rh(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6932 8 Rh(3) — 2 candidates
GT: {"O": 1, "N": 1} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6933 5 Rh(3) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6934 Rh1 Rh(3) — 2 candidates
GT: {"N": 3} Pred: {"O": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6935 1e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6936 2e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6937 3e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6938 4e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6939 5e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6940 6e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6941 7e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6942 8e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6943 9e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6944 complex 1 Rh(1) — 0 candidates
GT: {"O": 1, "N": 5} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6945 complex 2,complex 3,complex 4 Rh(1) — 0 candidates
GT: {"O": 1, "N": 5} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6946 1 Rh(3) — 2 candidates
GT: {"N": 2} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6947 3 Rh(3) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6948 3a Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6949 1 Rh(3) — 2 candidates
GT: {"N": 2, "S": 1} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6950 2 Rh(1) — 2 candidates
GT: {"N": 2, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6951 1 Rh(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6952 3 Rh(3) — 3 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6955 RhPPO Rh(3) — 3 candidates
GT: {"O": 1, "N": 5} Pred: {"O": 3, "N": 5}
0.00
Candidates → Complex detail MOL 3D Viewer
#6959 1 Rh(3) — 2 candidates
GT: {"N": 5, "S": 1} Pred: {"N": 4, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6960 2 Rh(3) — 2 candidates
GT: {"N": 5, "S": 1} Pred: {"N": 4, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6961 3 Rh(3) — 2 candidates
GT: {"N": 5, "S": 1} Pred: {"N": 4, "S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6962 3a Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6963 3b Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6964 3c Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6965 3d Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6966 3e Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6967 3f Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6968 3g Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6969 3h Rh(1) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6974 4 Rh(3) — 2 candidates
GT: {"S": 3, "N": 1} Pred: {"S": 6, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6975 1 Rh(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6976 3 Rh(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6977 5 Rh(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6978 7 Rh(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6979 Rh3 Rh(3) — 3 candidates
GT: {"N": 4} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
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